REMARK Name = BDB034402 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.061 -1.430 -0.173 0.00 0.00 +0.130 A ATOM 2 C LIG 1 3.712 -1.956 1.070 0.00 0.00 +0.074 A ATOM 3 C LIG 1 2.536 -1.593 1.708 0.00 0.00 +0.076 A ATOM 4 C LIG 1 1.661 -0.680 1.072 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.471 -0.332 1.766 0.00 0.00 +0.038 A ATOM 6 C LIG 1 0.215 -0.908 3.009 0.00 0.00 +0.043 A ATOM 7 C LIG 1 1.139 -1.785 3.534 0.00 0.00 +0.113 A ATOM 8 C LIG 1 2.014 -0.175 -0.204 0.00 0.00 +0.015 A ATOM 9 N LIG 1 2.282 -2.134 2.910 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 3.204 -0.552 -0.825 0.00 0.00 +0.047 A ENDROOT BRANCH 5 11 ATOM 11 N LIG 1 -0.517 0.535 1.226 0.00 0.00 -0.343 N ATOM 12 H LIG 1 -0.046 1.288 0.725 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 -1.456 -0.144 0.319 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 -2.629 -0.791 1.058 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 -3.486 0.241 1.798 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 -4.621 -0.341 2.527 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 -4.278 -1.090 3.126 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 -5.676 -0.884 1.663 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 C LIG 1 -6.392 0.164 0.838 0.00 0.00 +0.011 A ATOM 20 C LIG 1 -6.450 0.099 -0.570 0.00 0.00 +0.125 A ATOM 21 C LIG 1 -7.136 1.094 -1.281 0.00 0.00 +0.049 A ATOM 22 C LIG 1 -7.766 2.142 -0.605 0.00 0.00 +0.042 A ATOM 23 C LIG 1 -7.709 2.199 0.780 0.00 0.00 +0.124 A ATOM 24 F LIG 1 -8.312 3.206 1.425 0.00 0.00 -0.205 F ATOM 25 C LIG 1 -7.034 1.225 1.503 0.00 0.00 +0.046 A BRANCH 20 26 ATOM 26 O LIG 1 -5.802 -0.959 -1.153 0.00 0.00 -0.495 OA ATOM 27 C LIG 1 -5.920 -1.106 -2.563 0.00 0.00 +0.277 C ENDBRANCH 20 26 ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 5 11 BRANCH 1 28 ATOM 28 O LIG 1 5.235 -1.871 -0.739 0.00 0.00 -0.456 OA BRANCH 28 32 ATOM 29 C LIG 1 7.920 0.934 -2.275 0.00 0.00 +0.120 A ATOM 30 C LIG 1 7.367 1.141 -1.009 0.00 0.00 +0.049 A ATOM 31 C LIG 1 6.460 0.216 -0.478 0.00 0.00 +0.050 A ATOM 32 C LIG 1 6.095 -0.909 -1.220 0.00 0.00 +0.129 A ATOM 33 C LIG 1 6.661 -1.133 -2.473 0.00 0.00 +0.050 A ATOM 34 C LIG 1 7.564 -0.207 -2.999 0.00 0.00 +0.049 A BRANCH 29 36 ATOM 35 C LIG 1 9.223 2.921 -2.203 0.00 0.00 +0.277 C ATOM 36 O LIG 1 8.811 1.757 -2.907 0.00 0.00 -0.495 OA ENDBRANCH 29 36 ENDBRANCH 28 32 ENDBRANCH 1 28 TORSDOF 11